1H-Pyrazole-4-carbonitrile,3-nitro- supplier

Name
1H-Pyrazole-4-carbonitrile,3-nitro-(9CI)
EINECS
CAS No. 39205-87-3
Article Data2
CAS DataBase
Density 1.63 g/cm³
Solubility
Melting Point
Formula C₄H₂N₄O₂
Boiling Point 468.3 °C at 760 mmHg
Molecular Weight 138.085
Flash Point 237 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Nitro-1H-pyrazole-4-carbonitrile;3-Nitro-4-pyrazolecarbonitrile;4-Cyano-3-nitropyrazole;
PSA 98.29000
LogP 0.71278

1H-Pyrazole-4-carbonitrile,3-nitro- Specification

The 1H-Pyrazole-4-carbonitrile,3-nitro- is an organic compound with the formula C₄H₂N₄O₂. The systematic name of this chemical is 5-nitro-1H-pyrazole-4-carbonitrile. With the CAS registry number 39205-87-3, it is also named as 3-nitro-1H-pyrazole-4-carbonitrile. The product's category is Nitro.

Physical properties about 1H-Pyrazole-4-carbonitrile,3-nitro- are: (1)ACD/LogP: -0.08; (2)ACD/LogD (pH 5.5): -0.98; (3)ACD/LogD (pH 7.4): -2.01; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.72; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 87.43 Å²; (12)Index of Refraction: 1.602; (13)Molar Refractivity: 29.07 cm³; (14)Molar Volume: 84.6 cm³; (15)Polarizability: 11.52×10^-24cm³; (16)Surface Tension: 98.9 dyne/cm; (17)Density: 1.63 g/cm³; (18)Flash Point: 237 °C; (19)Enthalpy of Vaporization: 73.04 kJ/mol; (20)Boiling Point: 468.3 °C at 760 mmHg; (21)Vapour Pressure: 6.08E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cnnc1[N+](=O)[O-]
(2)InChI: InChI=1/C4H2N4O2/c5-1-3-2-6-7-4(3)8(9)10/h2H,(H,6,7)
(3)InChIKey: BHWGVDFLAUBWLA-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C4H2N4O2/c5-1-3-2-6-7-4(3)8(9)10/h2H,(H,6,7)
(5)Std. InChIKey: BHWGVDFLAUBWLA-UHFFFAOYSA-N

Product Name

1H-Pyrazole-4-carbonitrile,3-nitro-(9CI)

1H-Pyrazole-4-carbonitrile,3-nitro- Specification

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